SCHEMBL5696019

SCHEMBL5696019

C=CC(O)N(c1cccc2c1C(=O)c1ccccc1C2=O)C(O)C=C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
ALDH1A1 P00352 8/20 0.54
L3MBTL1 Q9Y468 7/20 0.54
MAPK1 P28482 7/20 0.54
TDP1 Q9NUW8 5/20 0.54
EGFR P00533 3/20 0.54
LMNA P02545 3/20 0.54
NSD2 O96028 1/20 0.54
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
PABPC1 P11940 3/20 0.51
KDM4E B2RXH2 2/20 0.48
ADORA2A P29274 1/20 0.42
MAOA P21397 6/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PTK2B Q14289 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
MCL1 Q07820 2/20 0.40
HPGD P15428 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7170509 0.76 L3MBTL1 (0.70) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL9393651 0.74 MAPT (0.67) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL7122665 0.74 MEN1 (0.54) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11286357 0.74 ALDH1A1 (0.57) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL728510 0.73 MEN1 (0.60) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL11316550 0.71 MAPT (0.62) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL15453236 0.71 L3MBTL1 (0.62) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL7129845 0.71 L3MBTL1 (0.53) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL1472980 0.71 ADORA2A (0.52) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL9844713 0.71 ALDH1A1 (0.79) MAPTALDH1A1L3MBTL1MAPK1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1039876-B1 DIRECT HAIR DYE COMPOSITIONS AND METHODS CONTAINING NOVEL ANTHRAQUINONE MIXTURES P & G CLAIROL INC (US) 2006-06-07 EP disclosed
EP-1039876-A4 DIRECT HAIR DYE COMPOSITIONS AND METHODS CONTAINING NOVEL ANTHRAQUINONE MIXTURES P & G CLAIROL INC (US) 2005-01-19 EP disclosed
EP-1039876-A1 DIRECT HAIR DYE COMPOSITIONS AND METHODS CONTAINING NOVEL ANTHRAQUINONE MIXTURES Bristol-Myers Squibb Company (US) 2000-10-04 EP disclosed
US-5961664-A THREE 1,4-HYDROXYALKYLAMINO-ANTHRAQUINONE DERIVATIVES, WHEREIN TWO OF THE ANTHRAQUINONE COMPOUNDS IN THE MIXTURE ARE SYMMETRIC AND THE OTHER ANTHRAQUINONE COMPOUND IS ASYMMETRIC, AND WHEREIN EACH OF THE ANTHRAQUINONE COMPOUNDS HAS SIMILAR BRISTOL-MYERS SQUIBB COMPANY (US) 1999-10-05 US disclosed
WO-1999002124-A2 DIRECT HAIR DYE COMPOSITIONS AND METHODS CONTAINING NOVEL ANTHRAQUINONE MIXTURES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-21 WO disclosed